N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine

C14H22FNO — CID 65047182

IUPACN-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC(C)c1cccc(F)c1)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-17-4)16-11(3)12-6-5-7-13(15)8-12/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyHARHGMFEVZUXNQ-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.15
Rot. Bonds6

About N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine

N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine (PubChem CID 65047182) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
PubChem CID65047182
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
SMILESCOCC(NC(C)c1cccc(F)c1)C(C)C
InChIInChI=1S/C14H22FNO/c1-10(2)14(9-17-4)16-11(3)12-6-5-7-13(15)8-12/h5-8,10-11,14,16H,9H2,1-4H3
InChIKeyHARHGMFEVZUXNQ-UHFFFAOYSA-N
XLogP3.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3-bromophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 81382071
N-[3-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]phenyl]acetamide
CID 65047227
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
N-[1-(3-fluorophenyl)ethyl]-3-methoxybutan-2-amine
CID 115704684
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
1-methoxy-3-methyl-N-(1-pyridin-4-ylethyl)butan-2-amine
CID 65047820
5-[1-[(1-methoxy-3-methylbutan-2-yl)amino]ethyl]benzene-1,3-diol
CID 107706656
1-(3-fluorophenyl)-2-methoxyethanamine
CID 45283501
1-(4-fluorophenyl)-N-[1-(3-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 43685516
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine (CID 65047182) is N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine is COCC(NC(C)c1cccc(F)c1)C(C)C.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
The InChIKey is HARHGMFEVZUXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-10(2)14(9-17-4)16-11(3)12-6-5-7-13(15)8-12/h5-8,10-11,14,16H,9H2,1-4H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine?
N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine has a molecular weight of 239.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 65047182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).